Coresets are small sets of points that approximate the properties of a larger point-set. For example, given a compact set $\mathcal{S} \subseteq \mathbb{R}^d$, a coreset could be defined as a (weighted) subset of $\mathcal{S}$ that approximates the sum of squared distances from $\mathcal{S}$ to every linear subspace of $\mathbb{R}^d$. As such, coresets can be used as a proxy to the full dataset and provide an important technique to speed up algorithms for solving problems including principal component analysis, latent semantic indexing, etc. In this paper, we provide a structural result that connects the construction of such coresets to approximating matrix products. This structural result implies a simple, randomized algorithm that constructs coresets whose sizes are independent of the number and dimensionality of the input points. The expected size of the resulting coresets yields an improvement over the state-of-the-art deterministic approach. Finally, we evaluate the proposed randomized algorithm on synthetic and real data, and demonstrate its effective performance relative to its deterministic counterpart.

We show how the discovery of robust scalable numerical solvers for arbitrary bounded linear operators can be automated as a Game Theory problem by reformulating the process of computing with partial information and limited resources as that of playing underlying hierarchies of adversarial information games. When the solution space is a Banach space $B$ endowed with a quadratic norm $\|\cdot\|$, the optimal measure (mixed strategy) for such games (e.g. the adversarial recovery of $u\in B$, given partial measurements $[\phi_i, u]$ with $\phi_i\in B^*$, using relative error in $\|\cdot\|$-norm as a loss) is a centered Gaussian field $\xi$ solely determined by the norm $\|\cdot\|$, whose conditioning (on measurements) produces optimal bets. When measurements are hierarchical, the process of conditioning this Gaussian field produces a hierarchy of elementary bets (gamblets). These gamblets generalize the notion of Wavelets and Wannier functions in the sense that they are adapted to the norm $\|\cdot\|$ and induce a multi-resolution decomposition of $B$ that is adapted to the eigensubspaces of the operator defining the norm $\|\cdot\|$. When the operator is localized, we show that the resulting gamblets are localized both in space and frequency and introduce the Fast Gamblet Transform (FGT) with rigorous accuracy and (near-linear) complexity estimates. As the FFT can be used to solve and diagonalize arbitrary PDEs with constant coefficients, the FGT can be used to decompose a wide range of continuous linear operators (including arbitrary continuous linear bijections from $H^s_0$ to $H^{-s}$ or to $L^2$) into a sequence of independent linear systems with uniformly bounded condition numbers and leads to $\mathcal{O}(N \operatorname{polylog} N)$ solvers and eigenspace adapted Multiresolution Analysis (resulting in near linear complexity approximation of all eigensubspaces).

Bayesian Neural Networks (BNNs) have recently received increasing attention for their ability to provide well-calibrated posterior uncertainties. However, model selection---even choosing the number of nodes---remains an open question. In this work, we apply a horseshoe prior over node pre-activations of a Bayesian neural network, which effectively turns off nodes that do not help explain the data. We demonstrate that our prior prevents the BNN from under-fitting even when the number of nodes required is grossly over-estimated. Moreover, this model selection over the number of nodes doesn't come at the expense of predictive or computational performance; in fact, we learn smaller networks with comparable predictive performance to current approaches.

Regressions are widely used to estimate relations between variables or predict future values for a certain dataset. If you want to know how much of variable "x" interferes with variable "y" you might want to do a regression in your data. If you have a bunch of data points in time, and you want to know what is your data going to look like in the future, you also might want to do regression. I will try to describe the steps that helped me successfully build linear and non-linear regression in R, using polynomials and splines. I am not going to go on too much details on each method.

Variable reduction is a crucial step for accelerating model building without losing the potential predictive power of the data. With the advent of Big Data and sophisticated data mining techniques, the number of variables encountered is often tremendous making variable selection or dimension reduction techniques imperative to produce models with acceptable accuracy and generalization. The temptation to build an ecological model using all available information (i.e., all variables) is hard to resist. Ample time and money are exhausted gathering data and supporting information. Analytical limitations require us to think carefully about the variables we choose to model, rather than adopting a naive approach where we blindly use all information to understand complexity. The purpose of this post is to illustrate the use of some techniques to effectively manage the selection of explanatory variables consequently leading to a parsimonious model with highest possible prediction accuracy.

KNN can easily be mapped to our real lives. If you want to learn about a person, of whom you have no information, you might like to find out about his close friends and the circles he moves in and gain access to his/her information!

The excited states of polyatomic systems are rather complex, and often exhibit meta-stable dynamical behaviors. Static analysis of reaction pathway often fails to sufficiently characterize excited state motions due to their highly non-equilibrium nature. Here, we proposed a time series guided clustering algorithm to generate most relevant meta-stable patterns directly from ab initio dynamic trajectories. Based on the knowledge of these meta-stable patterns, we suggested an interpolation scheme with only a concrete and finite set of known patterns to accurately predict the ground and excited state properties of the entire dynamics trajectories. As illustrated with the example of sinapic acids, the estimation error for both ground and excited state is very close, which indicates one could predict the ground and excited state molecular properties with similar accuracy. These results may provide us some insights to construct an excited state force field with compatible energy terms as traditional ones.

We consider the problem of classifying data manifolds where each manifold represents invariances that are parameterized by continuous degrees of freedom. Conventional data augmentation methods rely upon sampling large numbers of training examples from these manifolds; instead, we propose an iterative algorithm called M_{CP} based upon a cutting-plane approach that efficiently solves a quadratic semi-infinite programming problem to find the maximum margin solution. We provide a proof of convergence as well as a polynomial bound on the number of iterations required for a desired tolerance in the objective function. The efficiency and performance of M_{CP} are demonstrated in high-dimensional simulations and on image manifolds generated from the ImageNet dataset. Our results indicate that M_{CP} is able to rapidly learn good classifiers and shows superior generalization performance compared with conventional maximum margin methods using data augmentation methods.

The simplest approach to identifying irregularities in data is to flag the data points that deviate from common statistical properties of a distribution, including mean, median, mode, and quantiles. Let's say the definition of an anomalous data point is one that deviates by a certain standard deviation from the mean. Traversing mean over time-series data isn't exactly trivial, as it's not static. You would need a rolling window to compute the average across the data points. Technically, this is called a rolling average or a moving average, and it's intended to smooth short-term fluctuations and highlight long-term ones.

How much maths do I need to learn to be a data scientist? Even though the question sounds simple, there is no simple answer to the the question. Usually, we say that you need to know basic descriptive and inferential statistics to start. That is good to start. But, once you have covered the basic concepts in machine learning, you will need to learn some more math. You need it to understand how these algorithms work. What are their limitations and in case they make any underlying assumptions. Now, there could be a lot of areas to study including algebra, calculus, statistics, 3-D geometry etc. If you get confused (like I did) and ask experts what should you learn at this stage, most of them would suggest / agree that you go ahead with Linear Algebra. But, the problem does not stop there. The next challenge is to figure out how to learn Linear Algebra. You can get lost in the detailed mathematics and derivation and learning them would not help as much! I went through that journey myself and hence decided to write this comprehensive guide. If you have faced this question about how to learn & what to learn in Linear Algebra – you are at the right place. I would like to present 4 scenarios to showcase why learning Linear Algebra is important, if you are learning Data Science and Machine Learning. What do you see when you look at the image above? You most likely said flower, leaves -not too difficult. But, if I ask you to write that logic so that a computer can do the same for you – it will be a very difficult task (to say the least).